K784-7953 Screening compound: N~1~-(2-chlorobenzyl)-3-{[(3-methoxyanilino)carbonyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

K784-7953 Screening compound: N~1~-(2-chlorobenzyl)-3-{[(3-methoxyanilino)carbonyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide
K784-7953 Screening compound: N~1~-(2-chlorobenzyl)-3-{[(3-methoxyanilino)carbonyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-7953
N~1~-(2-chlorobenzyl)-3-{[(3-methoxyanilino)carbonyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K784-7953

Molecular Formula

C33H32ClN5O4 (C33 H32 ClN5 O4)

Compound Name

N~1~-(2-chlorobenzyl)-3-{[(3-methoxyanilino)carbonyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

IUPAC name

N-[(2-chlorophenyl)methyl]-3-{[(3-methoxyphenyl)carbamoyl]amino}-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}benzamide

SMILES

COc1cccc(NC(Nc(cc(cc2)C(NCc(cccc3)c3Cl)=O)c2N(CC(C2)CN34)CC2C4=CC=CC3=O)=O)c1

InChI

InChI=1S/C33H32ClN5O4/c1-43-26-8-4-7-25(16-26)36-33(42)37-28-15-22(32(41)35-17-23-6-2-3-9-27(23)34)12-13-30(28)38-18-21-14-24(20-38)29-10-5-11-31(40)39(29)19-21/h2-13,15-16,21,24H,14,17-20H2,1H3,(H,35,41)(H2,36,37,42)

InChI Key

BRILKMDCQFVZNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15099079

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

598.1

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.210

Distribution Coefficient, logD

6.210

Water Solubility, LogSw

-6.15

Polar Surface Area

82.651

Acid Dissociation Constant (pKa)

10.44

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

24.20

K784-7953 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

Anticancer Library (62698 compounds)

CORONAVIRUS Library (20774 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K784-7953 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-7953?
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What is the minimum amount of K784-7953 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-7953
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-7953
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of K784-7953 available by request